Compound Detail
CHEMBL1541554
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Basic Information
| ChEMBL ID | CHEMBL1541554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUCBLURAQJEHLA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.12
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.70
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.71
IC50 2 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 5.71 | 5.6333 | 1950.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.57 | 5.57 | 2725.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.11 | 4.11 | 77500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 1950.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 2333.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 2725.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 2764.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Phospholipase A2 | IC50 | = | 74100.0 | nM | 4.13 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 77500.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
Data from ChEMBL 36 via Core Engine